CID 205643

Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride

Structural Information

Molecular Formula
C11H10N2O3
SMILES
C1=CC=C(C(=C1)C(=O)OCC2=CN=CN2)O
InChI
InChI=1S/C11H10N2O3/c14-10-4-2-1-3-9(10)11(15)16-6-8-5-12-7-13-8/h1-5,7,14H,6H2,(H,12,13)
InChIKey
QSPRRXSJVWVFJP-UHFFFAOYSA-N
Compound name
1H-imidazol-5-ylmethyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 145.9
[M+Na]+ 241.058358 153.6
[M-H]- 217.061864 147.6
[M+NH4]+ 236.102963 161.7
[M+K]+ 257.032298 150.1
[M+H-H2O]+ 201.066400 138.0
[M+HCOO]- 263.067341 166.3
[M+CH3COO]- 277.082991 179.8
[M+Na-2H]- 239.043806 150.2
[M]+ 218.06859142 145.2
[M]- 218.06968858 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.